Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
5-에틸-5-메틸이미다졸리딘-2,4-디온
5-에틸-5-메틸이미다졸리딘-2,4-디온 · 5-ETHYL-5-METHYLHYDANTOIN · NSC 1020 · 5-ETHYL-5-METHYLIMIDAZOLIDINE-2,4-DIONE · 5-Methyl-5-ethyl-2,4-imidazolidinedione · 2,4-Imidazolidinedione, 5-ethyl-5-methyl-
식별자 및 물리적 특성
| CAS No. | 5394-36-5 |
|---|---|
| 분자식 | C6H10N2O2 |
| 평균 분자량 | 142.16 g/mol |
| 단동위원소 질량 | 142.07422756 g/mol |
| SMILES | CCC1(C)NC(=O)NC1=O |
| InChIKey | VSJRBQDMBFFHMC-UHFFFAOYSA-N |
| PubChem CID | 82162 |
| ChEMBL | CHEMBL3186277 |
| EC No. | 226-402-8 |
| DTXSID | DTXSID9041368 |
| 현지명 | 5-에틸-5-메틸이미다졸리딘-2,4-디온 |
화학 및 물리적 성질
| XLogP | 0.2 |
|---|---|
| 극성 표면적 | 58.2 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 10 |
| 형식 전하 | 0 |
| 복잡도 | 190 |
| Physical Description | Large CrystalsLiquid |
| Collision Cross Section | 129.7 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID9041368] |
| 녹는점 | 144-150 ºC |
| 밀도 | 1.095±0.06 g/cm3(Predicted) |
| 저장 조건 | 2-8°C |
| pKa(산도 계수) | 8.93±0.10(Predicted) |
| InChI | 1S/C6H10N2O2/c1-3-6(2)4(9)7-5(10)8-6/h3H2,1-2H3,(H2,7,8,9,10) |
| InChIKey | VSJRBQDMBFFHMC-UHFFFAOYSA-N |
| SMILES | CCC1(C)NC(=O)NC1=O |
| EPA | 2,4-Imidazolidinedione, 5-ethyl-5-methyl- (5394-36-5) |
안전 및 규제
| GHS 분류 | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| 규제 정보 | Chemical: 2,4-Imidazolidinedione, 5-ethyl-5-methyl-2,4-Imidazolidinedione, 5-ethyl-5-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2,4-Imidazolidinedione, 5-ethyl-5-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711) |
| 기타 안전 정보 | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | MU2070000 |
| 독성 | LD50 subcutaneous in mouse: 2gm/kg |
| 관세 코드 | 2933299090 |
| 위험 문구(R) | 22 |
| 위험 표시 | Xn |
| 위험 등급 | Acute Tox. 4 Oral |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
Reactant for synthesis of nociceptin/orphanin FQ analogues